[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C23H31N5O — CID 133317596

IUPAC[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1NCc1ccc(N2CCCCCC2)nc1)N1CCCCC1
InChIInChI=1S/C23H31N5O/c29-23(28-15-6-3-7-16-28)20-9-8-12-24-22(20)26-18-19-10-11-21(25-17-19)27-13-4-1-2-5-14-27/h8-12,17H,1-7,13-16,18H2,(H,24,26)
InChIKeyVQOCHSCFMZAZFG-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.10
Rot. Bonds5

About [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133317596) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133317596
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1NCc1ccc(N2CCCCCC2)nc1)N1CCCCC1
InChIInChI=1S/C23H31N5O/c29-23(28-15-6-3-7-16-28)20-9-8-12-24-22(20)26-18-19-10-11-21(25-17-19)27-13-4-1-2-5-14-27/h8-12,17H,1-7,13-16,18H2,(H,24,26)
InChIKeyVQOCHSCFMZAZFG-UHFFFAOYSA-N
XLogP4.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55972508
1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55585816
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133317596) is [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cccnc1NCc1ccc(N2CCCCCC2)nc1)N1CCCCC1.
What is the InChIKey of [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VQOCHSCFMZAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c29-23(28-15-6-3-7-16-28)20-9-8-12-24-22(20)26-18-19-10-11-21(25-17-19)27-13-4-1-2-5-14-27/h8-12,17H,1-7,13-16,18H2,(H,24,26).
What are the key properties of [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 393.54 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133317596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).